CID 150924

3-fluorobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₆FNO₂S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)F

InChI

InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

CRINBBOGNYCAOV-UHFFFAOYSA-N

Compound name

3-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 514
Patents: 175.01033 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.017606	129.6
[M+Na]+	197.999548	139.3
[M-H]-	174.003054	132.3
[M+NH4]+	193.044153	149.9
[M+K]+	213.973488	136.2
[M+H-H2O]+	158.007590	123.5
[M+HCOO]-	220.008531	148.4
[M+CH3COO]-	234.024181	176.8
[M+Na-2H]-	195.984996	134.7
[M]+	175.00978142	129.0
[M]-	175.01087858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe